N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide

C27H35FN4O — CID 42755258

IUPACN-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cc(-c2ccc(F)cc2)nn1-c1cc(C)ccc1C
InChIInChI=1S/C27H35FN4O/c1-6-31(7-2)16-8-9-21(5)29-27(33)26-18-24(22-12-14-23(28)15-13-22)30-32(26)25-17-19(3)10-11-20(25)4/h10-15,17-18,21H,6-9,16H2,1-5H3,(H,29,33)
InChIKeyRAWGGSOCVSRNSS-UHFFFAOYSA-N
MW450.60 g/mol
LogP5.54
Rot. Bonds10

About N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide

N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide (PubChem CID 42755258) has the molecular formula C27H35FN4O and a molecular weight of 450.60 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
PubChem CID42755258
Molecular FormulaC27H35FN4O
Molecular Weight450.60 g/mol
Exact Mass450.28
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cc(-c2ccc(F)cc2)nn1-c1cc(C)ccc1C
InChIInChI=1S/C27H35FN4O/c1-6-31(7-2)16-8-9-21(5)29-27(33)26-18-24(22-12-14-23(28)15-13-22)30-32(26)25-17-19(3)10-11-20(25)4/h10-15,17-18,21H,6-9,16H2,1-5H3,(H,29,33)
InChIKeyRAWGGSOCVSRNSS-UHFFFAOYSA-N
XLogP5.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4563606
N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42755261
N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3603848
N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 5233969
N-butan-2-yl-1-(2,5-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3294656
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 7337494
1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide
CID 42754711
[(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium
CID 7286057
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 7289215
N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754685
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42755274
N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7271222

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide (CID 42755258) is N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide is CCN(CC)CCCC(C)NC(=O)c1cc(-c2ccc(F)cc2)nn1-c1cc(C)ccc1C.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide?
The InChIKey is RAWGGSOCVSRNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O/c1-6-31(7-2)16-8-9-21(5)29-27(33)26-18-24(22-12-14-23(28)15-13-22)30-32(26)25-17-19(3)10-11-20(25)4/h10-15,17-18,21H,6-9,16H2,1-5H3,(H,29,33).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide has a molecular weight of 450.60 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42755258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).